TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.526 | Formula: C27H28F3N3O
H donors: 1 H acceptors: 1 LogP: 5.3 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1ccc(cc1)C(N1CCc2c(C1)cccc2)CNC(=O)c1ccc(cc1)C(F)(F)F)C
InChi: 1S/C27H28F3N3O/c1-32(2)24-13-9-20(10-14-24)25(33-16-15-19-5-3-4-6-22(19)18-33)17-31-26(34)21-7-11-23(12-8-21)27(28,29)30/h3-14,25H,15-18H2,1-2H3,(H,31,34)
InChiKey: FWJUKSJROFUWJW-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0266
Onchocerca volvulus		0.0028	0.4403	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0004	0.0084	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0651	0.0967
Trichomonas vaginalis	diphosphonucleoside phosphohydrolase, putative	0.0004	0.0084	0.0113
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.5159	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0005	0.024	0.024
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0266
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0005	0.024	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.5831	0.9794
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0005	0.024	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0266
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.0902
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0266
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	0.0004	0.0084	0.0141
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0272
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0272
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.0902
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0956	0.1517
Onchocerca volvulus		0.0005	0.024	0.0362
Brugia malayi	Calcium binding EGF domain containing protein	0.0005	0.024	0.0266
Schistosoma mansoni	hypothetical protein	0.0004	0.0084	0.0084
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.5831	1
Schistosoma mansoni	cpg binding protein	0.003	0.4688	0.4688
Brugia malayi	basement membrane proteoglycan precursor	0.0005	0.024	0.0266
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0651	0.0967
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0005	0.024	0.0266
Chlamydia trachomatis	3'(2'),5'-bisphosphate nucleotidase CysQ	0.0004	0.0084	0.5
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.5831	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.5831	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.5831	0.6542
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0005	0.024	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Echinococcus granulosus	cpg binding protein	0.003	0.4688	0.7845
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0005	0.024	0.0266
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0005	0.024	0.0266
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	0.0004	0.0084	0.0141
Brugia malayi	CUB domain containing protein	0.0005	0.024	0.0266
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0005	0.024	0.0266
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0542	0.0902
Echinococcus granulosus	low density lipoprotein receptor protein	0.0005	0.024	0.0266
Echinococcus multilocularis	low density lipoprotein receptor protein	0.0005	0.024	0.0266
Brugia malayi	enteropeptidase precursor	0.0005	0.024	0.0266
Brugia malayi	Low-density lipoprotein receptor-related protein, putative	0.0005	0.024	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Schistosoma mansoni	pap-inositol-14-phosphatase	0.0004	0.0084	0.0084
Brugia malayi	CXXC zinc finger family protein	0.0028	0.4403	0.736
Onchocerca volvulus		0.0005	0.024	0.0362
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0936	0.1452
Onchocerca volvulus		0.0005	0.024	0.0362
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.5159	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.5952	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.5831	0.5831
Schistosoma mansoni	cpg binding protein	0.0028	0.4403	0.4403
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0127	0.0127
Schistosoma mansoni	hypothetical protein	0.0005	0.024	0.024
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0542	0.0902
Schistosoma mansoni	inositol monophosphatase	0.0037	0.5831	0.5831
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0005	0.024	0.0266
Loa Loa (eye worm)	calcium binding EGF domain-containing protein	0.0005	0.024	0.0272
Echinococcus multilocularis	Low density lipoprotein receptor, class A, cysteine rich	0.0005	0.024	0.0266
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Trichomonas vaginalis	inositol monophosphatase, putative	0.0004	0.0084	0.0113
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0956	0.1485
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.5831	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.8869	1
Entamoeba histolytica	hypothetical protein	0.0037	0.5952	1
Trichomonas vaginalis	helicase, putative	0.0006	0.0542	0.0902
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0005	0.024	0.024
Entamoeba histolytica	hypothetical protein	0.0037	0.5952	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.5952	0.5952
Onchocerca volvulus	Terribly reduced optic lobes homolog	0.0005	0.024	0.0362
Loa Loa (eye worm)	low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0272
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0266
Onchocerca volvulus		0.0005	0.024	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.5952	1
Plasmodium falciparum	zinc finger protein, putative	0.0003	0	0.5
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0005	0.024	0.0362
Giardia lamblia	Hypothetical protein	0.0004	0.0084	0.5
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.5831	1
Onchocerca volvulus	Arrow homolog	0.0005	0.024	0.0362
Schistosoma mansoni	hypothetical protein	0.0005	0.024	0.024
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0005	0.024	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Brugia malayi	Inositol-1	0.0037	0.5831	0.9794
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.0902
Onchocerca volvulus		0.0005	0.024	0.0362
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0956	0.1485
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.0902
Schistosoma mansoni	myo inositol monophosphatase	0.0004	0.0084	0.0084
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.0902
Echinococcus granulosus	Low density lipoprotein receptor class A cysteine rich	0.0005	0.024	0.0266
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.5831	0.9797
Brugia malayi	hypothetical protein	0.0037	0.5952	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.5831	1
Schistosoma mansoni	hypothetical protein	0.0037	0.5952	0.5952
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.5831	0.5
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0005	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0005	0.024	0.0272
Onchocerca volvulus		0.0005	0.024	0.0362
Schistosoma mansoni	hypothetical protein	0.0004	0.0084	0.0084
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0651	0.0967
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0266
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.5831	0.9794
Loa Loa (eye worm)	inositol-1	0.0037	0.5831	1
Schistosoma mansoni	cpg binding protein	0.003	0.4688	0.4688
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0005	0.024	0.0266
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0005	0.024	0.0266
Brugia malayi	Low-density lipoprotein receptor domain class A containing protein	0.0005	0.024	0.0266
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.4403	0.7515
Entamoeba histolytica	hypothetical protein	0.0037	0.5952	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.5831	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0542	0.0902
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0005	0.024	0.024
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.5831	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0651	0.0967
Trichomonas vaginalis	inositol monophosphatase, putative	0.0004	0.0084	0.0113
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0651	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0005	0.024	0.0272
Echinococcus granulosus	5'partial\|Low density lipoprotein receptor class A cysteine rich	0.0005	0.024	0.0266
Entamoeba histolytica	hypothetical protein	0.0037	0.5952	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0542	0.0902
Echinococcus multilocularis	cpg binding protein	0.003	0.4688	0.7845

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 688708